ethyl (4S)-6-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonyloxymethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonyloxymethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(2-chloro-5-methylsulfanyl-benzoyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[[2-chloro-5-(methylthio)phenyl]-oxomethoxy]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(2-chloro-5-methylsulfanylbenzoyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[2-chloro-5-(methylthio)benzoyl]oxymethyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21ClN2O5S MolecularWeight: 460.93054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)COC(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CC=C2)COC(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C22H21ClN2O5S/c1-3-29-21(27)18-17(24-22(28)25-19(18)13-7-5-4-6-8-13)12-30-20(26)15-11-14(31-2)9-10-16(15)23/h4-11,19H,3,12H2,1-2H3,(H2,24,25,28)/t19-/m0/s1